3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide

C18H28N2O2 — CID 95621532

IUPAC3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-15(2)12-18(21)19-17(13-16-6-4-3-5-7-16)14-20-8-10-22-11-9-20/h3-7,15,17H,8-14H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyVRVFBJPVOQULDQ-KRWDZBQOSA-N
MW304.43 g/mol
LogP2.09
Rot. Bonds7

About 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide

3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide (PubChem CID 95621532) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
PubChem CID95621532
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-15(2)12-18(21)19-17(13-16-6-4-3-5-7-16)14-20-8-10-22-11-9-20/h3-7,15,17H,8-14H2,1-2H3,(H,19,21)/t17-/m0/s1
InChIKeyVRVFBJPVOQULDQ-KRWDZBQOSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
2-(cyclopropylmethylamino)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)acetamide
CID 119883220
2,2-dimethyl-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]azetidine-1-carboxamide
CID 97220199
N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 96515929
5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122754
(2S)-1-morpholin-4-yl-N-[(1R)-1-(oxan-4-yl)ethyl]-3-phenylpropan-2-amine
CID 97322359
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119883213
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 119883214

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide (CID 95621532) is 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide is CC(C)CC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide?
The InChIKey is VRVFBJPVOQULDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)12-18(21)19-17(13-16-6-4-3-5-7-16)14-20-8-10-22-11-9-20/h3-7,15,17H,8-14H2,1-2H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide?
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide has a molecular weight of 304.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 95621532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).